NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.3304 8.1400 114.8200 58.3076 64.5164 173.4384 2 L 4.1812 8.5280 120.0149 57.8169 41.5624 177.9684 3 L 4.0260 8.4443 119.5003 58.0401 41.6853 178.8806 4 E 4.1612 8.0698 117.8599 59.1742 29.4033 178.9729 5 F 4.7543 8.4675 120.8661 61.5276 39.5982 177.5246 6 G 3.5431 8.8655 105.5786 47.2743 0.0000 175.6965 7 K 4.0415 7.7319 120.6747 59.6988 32.3375 178.7973 8 M 4.0832 8.1768 118.9193 58.5145 31.8345 178.4041 9 I 3.6408 7.9170 120.2570 64.7598 37.3300 178.1703 10 L 4.4833 7.9336 121.8946 57.7117 41.6455 178.8844 11 E 4.0179 8.1989 118.1831 59.1828 29.4977 178.3917 12 E 4.1978 8.7281 118.9403 58.2462 29.9556 177.6236 13 T 4.4850 8.2614 107.6872 60.6779 70.5563 175.5992 14 G 3.7578 7.8625 109.7288 45.7822 0.0000 173.0688 *16 K 4.5179 7.3883 117.6363 56.2340 33.3464 174.2829 17 L 4.7471 7.9071 119.5743 53.0505 43.2077 177.5477 18 A 3.9980 8.7934 126.5904 54.7457 18.3778 177.1200 19 I 4.6505 7.7025 115.9764 59.3339 38.4308 173.5201 20 P 5.4143 0.0000 0.0000 61.7964 31.6173 177.1491 21 S 4.1097 7.6572 117.0882 61.6622 62.6369 174.6822 22 Y 4.6878 7.9886 114.0466 57.2283 39.1348 176.0159 23 S 4.1622 7.7971 114.3691 59.1598 63.6387 174.0952 24 S 4.5982 7.5876 115.8154 57.0294 62.8452 170.9733 25 Y 4.7865 9.0756 127.7332 57.8505 42.4206 175.3055 26 G 3.8446 8.2354 117.7422 46.1436 0.0000 172.3318 27 C 4.4120 8.9683 115.0463 58.4161 40.7551 174.7619 28 Y 4.3291 8.5606 114.8920 57.9701 39.8291 175.5621 29 C 4.6330 8.0592 116.9244 58.2493 39.4818 172.1352 30 G 3.1953 6.8920 117.1959 44.9895 0.0000 170.7742 31 W 4.8671 8.0273 125.1081 55.5927 32.7065 174.6049 32 G 3.9673 9.0147 106.0774 46.6668 0.0000 174.7077 33 G 3.7523 8.1326 107.5616 44.7488 0.0000 173.3948 34 K 4.4786 7.5589 121.7266 55.7561 36.1275 177.0311 35 G 3.8018 8.8524 105.6385 44.4679 0.0000 171.9325 36 T 4.4712 8.0216 109.1483 58.7019 70.7540 172.1512 37 P 4.3895 0.0000 0.0000 63.1574 31.8102 176.3600 38 K 3.8879 8.7879 123.1916 58.9509 32.4326 176.0766 39 D 4.4784 7.2191 115.3193 51.1459 42.1792 174.6217 40 A 3.9861 8.8711 119.6317 56.3910 18.1938 179.8357 41 T 3.9687 8.0243 113.3259 67.0821 68.4674 176.1502 42 D 4.5571 8.7457 119.7183 57.1316 41.1889 178.5192 43 R 3.9622 8.0786 119.0078 59.2639 30.0564 178.2194 44 C 4.2434 8.2645 116.3935 60.3099 41.2100 175.5899 45 C 4.3274 8.2610 117.6330 59.7969 38.1366 175.7810 46 F 3.7749 8.3838 122.3919 61.5261 38.9494 177.7256 47 V 3.1209 7.6149 111.7745 64.1752 31.1915 178.0390 48 H 3.7609 7.8037 118.0389 59.4051 29.7545 177.1425 49 D 4.2023 8.0208 120.5828 57.4394 40.3514 178.1630 50 C 4.1777 7.4356 116.4092 59.5349 41.5328 175.0874 51 C 4.2613 8.2466 120.6787 59.8448 40.9599 174.9736 52 Y 4.3732 7.9225 118.4349 61.2724 37.3659 179.0568 53 G 3.8899 7.9299 104.0909 46.6904 0.0000 174.1401 54 N 4.8716 7.8178 117.3896 52.4323 40.1936 175.4285 55 L 4.8120 7.8152 120.5441 52.3148 41.9780 174.5343 56 P 4.2278 0.0000 0.0000 65.6505 32.1189 178.9255 *59 D 4.8353 7.8271 116.0177 54.0948 43.0532 175.5729 *61 C 4.9200 7.6270 115.6182 57.0098 38.0497 172.2633 *67 N 4.8201 8.0301 119.1007 52.5000 38.7605 172.5164 68 P 4.1140 0.0000 0.0000 64.8918 31.7872 178.7140 69 K 4.1572 7.9944 117.7609 58.4365 32.4583 177.2607 70 S 4.6026 7.3372 113.3604 59.3508 64.9135 174.7382 71 D 4.3839 8.3691 120.0094 54.9561 40.9382 176.0546 72 R 4.8002 8.8264 122.3210 53.6442 32.0679 174.7427 73 Y 5.0191 7.9944 119.4563 54.9129 41.4925 174.2405 74 K 4.9536 8.6345 117.5691 54.9194 35.9165 175.3244 75 Y 5.6115 8.4222 120.7414 55.4423 41.3034 173.9237 76 K 4.5842 9.5261 119.8513 55.2313 36.6656 175.1152 77 R 4.8825 8.5664 119.6750 54.7896 31.6465 176.1331 78 V 4.1338 8.7704 125.7830 61.7505 32.5700 175.0012 79 N 4.2071 9.3962 126.9196 54.9186 36.6881 175.1670 80 G 3.9380 8.5806 103.9499 44.9417 0.0000 173.7193 81 A 4.8209 7.2886 121.8642 50.0284 21.7186 176.3430 82 I 4.4211 8.3010 121.8333 61.2084 38.3786 175.6821 83 V 4.3562 9.4874 127.2782 61.1210 34.0770 173.8381 84 C 4.9858 8.8814 126.4223 56.4764 40.6204 173.5956 85 E 4.2308 8.8661 125.1554 55.7559 30.0752 177.2328 86 K 4.0123 8.7926 125.8814 56.8337 33.6641 175.1932 *88 G 4.3996 8.0403 114.9437 45.4136 0.0000 175.2618 89 T 4.3210 8.5947 115.6962 60.4992 71.0892 174.9142 90 S 4.0120 8.6315 117.5165 62.0731 62.4084 177.6555 91 C 4.2370 8.0761 118.4104 60.1268 41.2952 175.6271 92 E 3.9693 7.8635 120.2118 59.4803 29.0408 179.3237 93 N 4.2220 8.1950 116.3224 56.3368 38.6435 177.7619 94 R 3.8013 8.0008 119.3786 59.2966 30.1767 179.1028 95 I 3.5987 7.9914 119.9654 64.4727 37.0000 177.6501 96 C 3.1567 7.6870 119.1078 59.4400 43.7205 175.5599 97 E 3.6693 7.8637 119.9890 59.3659 28.7937 178.8098 98 C 4.1784 7.9882 116.7779 60.0945 41.3838 175.8720 99 D 3.5649 7.8759 120.4937 56.6392 40.2572 178.7874 100 K 3.7490 7.9683 120.2191 59.4456 32.2074 178.7089 101 A 3.8355 7.8385 120.7597 55.0844 18.1804 179.5282 102 A 3.4251 7.5099 119.0907 54.9032 18.2585 179.6690 103 A 3.7045 7.8413 119.3568 55.3855 18.4657 179.9594 104 I 3.7295 7.7604 118.2470 64.2347 36.9470 177.7668 105 C 4.2075 7.7848 118.9864 59.4955 44.6012 175.3763 106 F 4.5915 8.0172 119.7242 60.6957 38.4618 177.1354 107 R 3.9125 7.7861 117.9635 60.0718 29.6532 178.3595 108 Q 4.0830 7.9839 116.1100 58.1156 28.9748 177.5586 109 N 5.2783 7.9019 115.5889 52.0784 39.2686 176.4753 110 L 4.2020 8.3051 121.7553 57.3086 42.2218 179.3447 111 N 4.3759 8.4023 116.6455 55.2064 37.4096 176.3392 112 T 4.5661 7.6322 105.8941 60.9875 69.0728 173.2185 113 Y 4.0641 7.7548 123.5748 58.1605 39.1220 175.0289 114 S 4.7706 8.4728 121.7432 56.0308 64.6790 174.6458 115 K 4.1051 8.6321 128.2590 58.4503 32.1981 178.0258 116 K 3.9531 7.7705 118.2688 58.7688 32.4275 176.4364 117 Y 4.4038 7.4935 115.2274 58.0627 38.2216 175.4144 118 M 4.5236 7.4702 120.3960 56.3130 32.6584 175.9382 119 L 3.6636 7.9227 119.3919 55.6568 40.1672 174.7902 120 Y 4.0038 7.9839 118.2380 56.6320 39.2459 173.2635 121 P 3.9044 0.0000 0.0000 62.8821 32.2080 176.5788 122 D 3.9571 8.2086 120.2305 56.5961 41.5417 178.0853 *124 F 4.8315 7.8246 111.5877 56.4296 39.5571 175.1840 125 L 4.2872 6.4910 119.9803 54.7396 41.2792 175.6962 126 C 4.9293 7.9004 116.8282 55.5040 41.7679 173.4147 127 K 4.5488 8.4476 122.3707 56.0042 35.5164 175.8036 128 G 3.7027 9.9766 107.3806 46.7527 0.0000 175.3160 129 E 3.4469 6.9243 118.3665 54.9512 29.8885 175.0420 130 L 4.7497 7.8200 125.3748 52.8323 43.9998 176.7856 131 K 4.2539 8.4723 123.3578 55.9676 33.2192 176.1779 *133 C 4.8040 8.4612 113.9182 55.9323 42.9198 173.6838 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.14 5.33 0.00 4.20 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.53 4.18 0.00 2.04 1.87 1.21 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.44 4.03 0.00 1.78 1.72 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.07 4.16 0.00 1.63 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.27 0.00 5 F 8.47 4.75 0.00 3.40 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.87 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.73 4.04 0.00 2.18 2.18 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.55 7.81 8 M 8.18 4.08 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 1.80 0.00 9 I 7.92 3.64 1.93 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.31 0.94 0.00 0.00 10 L 7.93 4.48 0.00 1.81 1.94 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.20 4.02 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 12 E 8.73 4.20 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 13 T 8.26 4.48 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 14 G 7.86 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 7.39 4.52 0.00 1.80 1.60 0.00 1.59 0.00 0.00 0.94 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.24 7.81 17 L 7.91 4.75 0.00 1.72 1.72 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.79 4.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.70 4.65 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 1.02 0.00 0.00 20 P 0.00 5.41 0.00 2.24 2.30 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 21 S 7.66 4.11 0.00 3.80 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.99 4.69 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.80 4.16 0.00 4.22 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.59 4.60 0.00 4.04 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 9.08 4.79 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.24 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.97 4.41 0.00 3.01 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.56 4.33 0.00 3.16 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.06 4.63 0.00 3.35 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 6.89 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.03 4.87 0.00 3.53 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.13 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.56 4.48 0.00 1.76 1.71 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.30 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.31 7.81 35 G 8.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.02 4.47 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 37 P 0.00 4.39 0.00 1.91 2.08 0.00 3.37 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 38 K 8.79 3.89 0.00 0.89 0.74 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.77 0.52 7.81 39 D 7.22 4.48 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.87 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.02 3.97 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 42 D 8.75 4.56 0.00 2.93 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.08 3.96 0.00 2.14 1.99 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 44 C 8.26 4.24 0.00 3.36 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.26 4.33 0.00 3.31 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.38 3.77 0.00 2.48 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.61 3.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.84 0.00 0.00 48 H 7.80 3.76 0.00 3.14 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.02 4.20 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.44 4.18 0.00 2.71 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.25 4.26 0.00 2.90 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.92 4.37 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.82 4.87 0.00 2.94 2.81 0.00 0.00 6.74 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.82 4.81 0.00 1.63 1.51 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.23 0.00 2.21 2.30 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 *59 D 7.83 4.84 0.00 2.74 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 C 7.63 4.92 0.00 3.04 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 N 8.03 4.82 0.00 2.75 2.93 0.00 0.00 7.66 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.11 0.00 1.35 0.49 0.00 3.46 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 69 K 7.99 4.16 0.00 1.79 1.86 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 70 S 7.34 4.60 0.00 4.27 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.37 4.38 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.83 4.80 0.00 1.78 1.80 0.00 3.33 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 73 Y 7.99 5.02 0.00 3.06 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.63 4.95 0.00 1.75 1.71 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 75 Y 8.42 5.61 0.00 3.15 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 9.53 4.58 0.00 1.77 1.89 0.00 1.28 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.55 7.81 77 R 8.57 4.88 0.00 1.74 1.99 0.00 3.65 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 78 V 8.77 4.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.95 0.00 0.00 79 N 9.40 4.21 0.00 2.89 2.91 0.00 0.00 7.30 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.58 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.29 4.82 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.30 4.42 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.77 0.00 0.00 83 V 9.49 4.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.00 0.00 0.00 84 C 8.88 4.99 0.00 2.98 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.87 4.23 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 86 K 8.79 4.01 0.00 1.83 1.71 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.51 7.81 *88 G 8.04 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.59 4.32 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 90 S 8.63 4.01 0.00 3.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.08 4.24 0.00 2.99 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.86 3.97 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 93 N 8.19 4.22 0.00 2.86 2.80 0.00 0.00 7.04 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.00 3.80 0.00 1.87 1.90 0.00 3.31 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 95 I 7.99 3.60 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.90 0.00 0.00 96 C 7.69 3.16 0.00 2.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.86 3.67 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 98 C 7.99 4.18 0.00 3.16 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.88 3.56 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.97 3.75 0.00 1.81 1.84 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.35 7.81 101 A 7.84 3.84 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.51 3.43 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.84 3.70 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.76 3.73 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.87 0.86 0.00 0.00 105 C 7.78 4.21 0.00 3.02 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.02 4.59 0.00 3.06 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.79 3.91 0.00 1.85 1.96 0.00 3.13 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 108 Q 7.98 4.08 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 109 N 7.90 5.28 0.00 3.06 2.87 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.31 4.20 0.00 1.73 1.74 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.40 4.38 0.00 2.99 3.11 0.00 0.00 5.84 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.63 4.57 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 113 Y 7.75 4.06 0.00 3.08 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.47 4.77 0.00 4.02 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.63 4.11 0.00 1.95 1.80 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.49 7.81 116 K 7.77 3.95 0.00 1.55 1.54 0.00 1.52 0.00 0.00 1.01 0.00 0.00 2.56 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.46 1.08 7.81 117 Y 7.49 4.40 0.00 2.02 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 7.47 4.52 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.60 0.00 119 L 7.92 3.66 0.00 1.78 1.70 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.98 4.00 0.00 3.03 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 3.90 0.00 0.82 0.54 0.00 2.48 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 122 D 8.21 3.96 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 F 7.82 4.83 0.00 3.21 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 6.49 4.29 0.00 1.05 1.56 0.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.90 4.93 0.00 3.01 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.45 4.55 0.00 1.72 1.68 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 128 G 9.98 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 6.92 3.45 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 130 L 7.82 4.75 0.00 1.61 1.57 0.51 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.47 4.25 0.00 1.87 1.77 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.86 1.47 7.81 *133 C 8.46 4.80 0.00 3.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.